ArticleJournal of chemical theory and computation2021
Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark Calculations.
Article in Journal of chemical theory and computation, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
- An Uncontracted Epstein-Nesbet Perturbation Theory Approximation to SC-NEVPT2 Based on Spin-Pure Selected CI Wave Functions.Journal of chemical theory and computation · 2026Article
- PASPT2: A Size-Extensive and Size-Consistent Partial-Active-Space Multistate Multireference Second-Order Perturbation Theory for Strongly Correlated Electrons.Precision chemistry · 2026Article
- Stochastic Difference-Dedicated Configuration Interaction for Magnetic Exchange in Large Active Spaces.Journal of chemical theory and computation · 2026Article
- Neural Quantum States Based on Selected Configurations.The journal of physical chemistry letters · 2026Article
- Modal Backflow Neural Quantum States for Anharmonic Vibrational Calculations.Journal of chemical theory and computation · 2026Article
- Stochastic-SplitGAS: A Quantum Monte Carlo Multi-Reference Perturbation Theory Based on the Imaginary-Time Evolution of Effective Hamiltonians.Journal of chemical theory and computation · 2025Article
- Geometric Direct Minimization for Low-Spin Restricted Open-Shell Hartree-Fock Theory.Journal of chemical theory and computation · 2025Article
- Treating Spin-Orbit Coupling and Spin-Spin Coupling in the Framework of the Iterative Configuration Expansion Selected CI.Journal of chemical theory and computation · 2025Article
- Approximation to Second Order N-Electron Valence State Perturbation Theory: Limiting the Wave Function within Singles.Journal of chemical theory and computation · 2025Article
- Analytical SA-HCISCF Nuclear Gradients from Spin-Adapted Heat-Bath Configuration Interaction.Journal of chemical theory and computation · 2025Article
- Efficient Implementation of Approximate Fourth OrderJournal of chemical theory and computation · 2025Article
- General Spin-Restricted Open-Shell Configuration Interaction Approach: Application to Metal K-Edge X-ray Absorption Spectra of Ferro- and Antiferromagnetically Coupled Dimers.The journal of physical chemistry. A · 2025Article
- Restricted Open-Shell Hartree-Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings.The journal of physical chemistry. A · 2024Article
- Analytic Non-adiabatic Couplings for Selected Configuration Interaction via Approximate Degenerate Coupled Perturbed Hartree-Fock.Journal of chemical theory and computation · 2023Article
- Analytic Gradients for Selected Configuration Interaction.Journal of chemical theory and computation · 2023Article
- Efficient Computation of Two-Electron Reduced Density Matrices via Selected Configuration Interaction.Journal of chemical theory and computation · 2022Article
- Spin Purification in Full-CI Quantum Monte Carlo via a First-Order Penalty Approach.The journal of physical chemistry. A · 2022Article
- The Static-Dynamic-Static Family of Methods for Strongly Correlated Electrons: Methodology and Benchmarking.Topics in current chemistry (Cham) · 2021Review
- Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters.Journal of chemical theory and computation · 2021Article
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Abstract
The present work is the second part in our three-part series on the comparison of many-particle representations for the selected configuration interaction (CI) method. In this work, we present benchmark calculations based on our selected CI program called the iterative configuration expansion (ICE) that is inspired by the CIPSI method of Malrieu and co-workers (Malrieu
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